5I2N
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![BU of 5i2n by Molmil](/molmil-images/mine/5i2n) | Structure of the human GluN1/GluN2A LBD in complex with N-ethyl-7-{[2-fluoro-3-(trifluoromethyl)phenyl]methyl}-2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (compound 29) | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, GLUTAMIC ACID, ... | Authors: | Wallweber, H.J.A, Lupardus, P.J. | Deposit date: | 2016-02-09 | Release date: | 2016-03-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Discovery of GluN2A-Selective NMDA Receptor Positive Allosteric Modulators (PAMs): Tuning Deactivation Kinetics via Structure-Based Design. J.Med.Chem., 59, 2016
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4TXP
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![BU of 4txp by Molmil](/molmil-images/mine/4txp) | Crystal structure of LIP5 N-terminal domain | Descriptor: | Vacuolar protein sorting-associated protein VTA1 homolog | Authors: | Vild, C.J, Xu, Z. | Deposit date: | 2014-07-04 | Release date: | 2015-02-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | A Novel Mechanism of Regulating the ATPase VPS4 by Its Cofactor LIP5 and the Endosomal Sorting Complex Required for Transport (ESCRT)-III Protein CHMP5. J.Biol.Chem., 290, 2015
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5KDT
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![BU of 5kdt by Molmil](/molmil-images/mine/5kdt) | Structure of the human GluN1/GluN2A LBD in complex with GNE0723 | Descriptor: | (1~{R},2~{R})-2-[7-[[5-chloranyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxidanylidene-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile, ACETATE ION, GLUTAMIC ACID, ... | Authors: | Wallweber, H.J.A, Lupardus, P.J. | Deposit date: | 2016-06-08 | Release date: | 2016-07-13 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Discovery of GluN2A-Selective NMDA Receptor Positive Allosteric Modulators (PAMs): Tuning Deactivation Kinetics via Structure-Based Design. J. Med. Chem., 59, 2016
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6IER
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![BU of 6ier by Molmil](/molmil-images/mine/6ier) | Apo structure of a beta-glucosidase 1317 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, beta-glucosidase 1317 | Authors: | Xie, W, Liu, X. | Deposit date: | 2018-09-16 | Release date: | 2019-07-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.246 Å) | Cite: | Improving the cellobiose-hydrolysis activity and glucose-tolerance of a thermostable beta-glucosidase through rational design. Int.J.Biol.Macromol., 136, 2019
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6O3N
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![BU of 6o3n by Molmil](/molmil-images/mine/6o3n) | |
6XY2
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![BU of 6xy2 by Molmil](/molmil-images/mine/6xy2) | Crystal structure of CTLA-4 complexed with the Fab of HL32 antibody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cytotoxic T-lymphocyte protein 4, Heavy chain, ... | Authors: | Gao, H, Zhou, A. | Deposit date: | 2020-01-29 | Release date: | 2020-12-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structure of CTLA-4 complexed with a pH-sensitive cancer immunotherapeutic antibody. Cell Discov, 6, 2020
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1C4G
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![BU of 1c4g by Molmil](/molmil-images/mine/1c4g) | |
5D39
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![BU of 5d39 by Molmil](/molmil-images/mine/5d39) | Transcription factor-DNA complex | Descriptor: | DNA (5'-D(P*AP*TP*GP*GP*AP*TP*TP*TP*CP*CP*TP*GP*GP*AP*AP*GP*AP*CP*AP*GP*A)-3'), DNA (5'-D(P*TP*CP*TP*GP*TP*CP*TP*TP*CP*CP*AP*GP*GP*AP*AP*AP*TP*CP*CP*AP*T)-3'), Signal transducer and activator of transcription 6 | Authors: | Li, J, Niu, F, Ouyang, S, Liu, Z. | Deposit date: | 2015-08-06 | Release date: | 2016-08-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis for DNA recognition by STAT6 Proc.Natl.Acad.Sci.USA, 113, 2016
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6ITX
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5WWU
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![BU of 5wwu by Molmil](/molmil-images/mine/5wwu) | Crystal Structure of HLA-A*2402 in complex with 2009 pandemic influenza A(H1N1) virus and avian influenza A(H5N1) virus-derived peptide H1-25 | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ... | Authors: | Zhao, M, Liu, K, Chai, Y, Qi, J, Liu, J, Gao, G.F. | Deposit date: | 2017-01-05 | Release date: | 2018-01-17 | Last modified: | 2019-07-31 | Method: | X-RAY DIFFRACTION (2.794 Å) | Cite: | Heterosubtypic Protections against Human-Infecting Avian Influenza Viruses Correlate to Biased Cross-T-Cell Responses. Mbio, 9, 2018
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4KFP
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![BU of 4kfp by Molmil](/molmil-images/mine/4kfp) | Identification of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-derived Ureas as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | 1,2-ETHANEDIOL, N-(4-{[1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl]sulfonyl}benzyl)-2H-pyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Dragovich, P.S, Bair, K.W, Baumeister, T, Ho, Y, Liederer, B.M, Liu, X, O'Brien, T, Oeh, J, Sampath, D, Skelton, N, Wang, L, Wang, W, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhang, L, Zheng, X. | Deposit date: | 2013-04-27 | Release date: | 2013-08-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Identification of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-derived ureas as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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5WXD
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![BU of 5wxd by Molmil](/molmil-images/mine/5wxd) | Crystal Structure of HLA-A*2402 in complex with avian influenza A(H7N9) virus-derived peptide H7-25 (data set 1) | Descriptor: | Beta-2-microglobulin, H7-25, HLA class I histocompatibility antigen, ... | Authors: | Zhao, M, Liu, K, Chai, Y, Qi, J, Liu, J, Gao, G.F. | Deposit date: | 2017-01-07 | Release date: | 2018-01-17 | Last modified: | 2019-07-31 | Method: | X-RAY DIFFRACTION (3.295 Å) | Cite: | Heterosubtypic Protections against Human-Infecting Avian Influenza Viruses Correlate to Biased Cross-T-Cell Responses. Mbio, 9, 2018
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7KDT
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5WXC
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![BU of 5wxc by Molmil](/molmil-images/mine/5wxc) | Crystal Structure of HLA-A*2402 in complex with avian influenza A(H7N9) virus-derived peptide H7-25 (data set 2) | Descriptor: | Beta-2-microglobulin, H7-25-F, HLA class I histocompatibility antigen, ... | Authors: | Zhao, M, Liu, K, Chai, Y, Qi, J, Liu, J, Gao, G.F. | Deposit date: | 2017-01-07 | Release date: | 2018-01-17 | Last modified: | 2019-07-31 | Method: | X-RAY DIFFRACTION (2.295 Å) | Cite: | Heterosubtypic Protections against Human-Infecting Avian Influenza Viruses Correlate to Biased Cross-T-Cell Responses. Mbio, 9, 2018
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5H19
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![BU of 5h19 by Molmil](/molmil-images/mine/5h19) | EED in complex with PRC2 allosteric inhibitor EED162 | Descriptor: | 5-(furan-2-ylmethylamino)-9-(phenylmethyl)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | Deposit date: | 2016-10-08 | Release date: | 2017-01-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED PLoS ONE, 12, 2017
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4C13
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![BU of 4c13 by Molmil](/molmil-images/mine/4c13) | x-ray crystal structure of Staphylococcus aureus MurE with UDP-MurNAc- Ala-Glu-Lys | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Ruane, K.M, Roper, D.I, Fulop, V, Barreteau, H, Boniface, A, Dementin, S, Blanot, D, Mengin-Lecreulx, D, Gobec, S, Dessen, A, Dowson, C.G, Lloyd, A.J. | Deposit date: | 2013-08-09 | Release date: | 2013-10-02 | Last modified: | 2021-03-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of a first-in-class CDK2 selective degrader for AML differentiation therapy. Nat.Chem.Biol., 2021
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7FJO
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![BU of 7fjo by Molmil](/molmil-images/mine/7fjo) | Cryo-EM structure of South African (B.1.351) SARS-CoV-2 spike glycoprotein in complex with three T6 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, T6 heavy chain, ... | Authors: | Wang, X, Zhang, L, Zhang, S, Liang, Q. | Deposit date: | 2021-08-04 | Release date: | 2022-04-13 | Method: | ELECTRON MICROSCOPY (3.34 Å) | Cite: | RBD trimer mRNA vaccine elicits broad and protective immune responses against SARS-CoV-2 variants. Iscience, 25, 2022
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7FJN
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![BU of 7fjn by Molmil](/molmil-images/mine/7fjn) | Cryo-EM structure of South African (B.1.351) SARS-CoV-2 spike glycoprotein in complex with two T6 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Envelope glycoprotein, T6 heavy chain, ... | Authors: | Wang, X, Zhang, L, Zhang, S, Liang, Q. | Deposit date: | 2021-08-04 | Release date: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | RBD trimer mRNA vaccine elicits broad and protective immune responses against SARS-CoV-2 variants. Iscience, 25, 2022
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8JGG
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![BU of 8jgg by Molmil](/molmil-images/mine/8jgg) | CryoEM structure of Gi-coupled MRGPRX1 with peptide agonist BAM8-22 | Descriptor: | BAM8-22, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Sun, J.P, Xu, H.E, Ynag, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y. | Deposit date: | 2023-05-20 | Release date: | 2024-01-10 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Ligand recognition and G protein coupling of the human itch receptor MRGPRX1. Nat Commun, 14, 2023
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8JGB
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![BU of 8jgb by Molmil](/molmil-images/mine/8jgb) | CryoEM structure of Gi-coupled MRGPRX1 with peptide agonist CNF-Tx2 | Descriptor: | Conorfamide-Tx2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Sun, J.P, Xu, H.E, Yang, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y. | Deposit date: | 2023-05-20 | Release date: | 2024-01-10 | Method: | ELECTRON MICROSCOPY (2.84 Å) | Cite: | Ligand recognition and G protein coupling of the human itch receptor MRGPRX1. Nat Commun, 14, 2023
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7FJS
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![BU of 7fjs by Molmil](/molmil-images/mine/7fjs) | Crystal structure of T6 Fab bound to theSARS-CoV-2 RBD of B.1.351 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, T6 heavy chain, ... | Authors: | Wang, X, Zhang, L, Zhang, S, Liang, Q. | Deposit date: | 2021-08-04 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | RBD trimer mRNA vaccine elicits broad and protective immune responses against SARS-CoV-2 variants. Iscience, 25, 2022
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8JGF
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![BU of 8jgf by Molmil](/molmil-images/mine/8jgf) | CryoEM structure of Gq-coupled MRGPRX1 with peptide agonist BAM8-22 | Descriptor: | BAM8-22, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Sun, J.P, Xu, H.E, Yang, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y. | Deposit date: | 2023-05-20 | Release date: | 2024-01-10 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Ligand recognition and G protein coupling of the human itch receptor MRGPRX1. Nat Commun, 14, 2023
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3K5V
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![BU of 3k5v by Molmil](/molmil-images/mine/3k5v) | Structure of Abl kinase in complex with imatinib and GNF-2 | Descriptor: | 3-(6-{[4-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)benzamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHLORIDE ION, ... | Authors: | Cowan-Jacob, S.W, Fendrich, G, Rummel, G, Strauss, A. | Deposit date: | 2009-10-08 | Release date: | 2010-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Targeting Bcr-Abl by combining allosteric with ATP-binding-site inhibitors. Nature, 463, 2010
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6D02
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![BU of 6d02 by Molmil](/molmil-images/mine/6d02) | Cross-alpha Amyloid-like Structure alphaAmL, 2nd form | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CARBONATE ION, PHOSPHATE ION, ... | Authors: | Zhang, S.-Q, Liu, L, Degrado, W.F. | Deposit date: | 2018-04-10 | Release date: | 2019-02-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Designed peptides that assemble into cross-alpha amyloid-like structures. Nat. Chem. Biol., 14, 2018
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3PMT
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![BU of 3pmt by Molmil](/molmil-images/mine/3pmt) | Crystal structure of the Tudor domain of human Tudor domain-containing protein 3 | Descriptor: | TETRAETHYLENE GLYCOL, Tudor domain-containing protein 3 | Authors: | Lam, R, Bian, C.B, Guo, Y.H, Xu, C, Kania, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2010-11-18 | Release date: | 2010-12-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of TDRD3 and Methyl-Arginine Binding Characterization of TDRD3, SMN and SPF30. Plos One, 7, 2012
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